Site-selection and recognition of aromatic carboxylic acid in response to coronene and pyridine derivative  

作　　者：Yuanjiao Liu Xiaoyang Zhao Songyao Zhang Yi Wang Yutuo Zheng Xinrui Miao Wenli Deng 

机构地区：[1]College of Materials Science and Engineering,South China University of Technology,Guangzhou 510640,China

出　　处：《Chinese Chemical Letters》2024年第8期245-249,共5页中国化学快报（英文版）

基　　金：support from the National Natural Science Foundation of China(No.22172055);the Natural Science Foundation of Guangdong Province(Nos.2023B1515040026,2022A1515011892);the Basic and Applied Basic Research Program of Guangzhou City(Nos.202002030083,202102080443)is gratefully acknowledged.

摘　　要：The self-assembled structures of H_(3) BDA molecule with multiple meta-dicarboxylic groups and their stim-ulus responses to the guest molecules(COR and T4PT)are thoroughly investigated by scanning tunneling microscopy(STM).STM observations display that two kinds of nanostructures are fabricated by H3 BDA molecules through intermolecular hydrogen bonds,in which a linear structure is formed at a higher con-centration and a flower-like structure is obtained at a lower concentration.After the addition of COR and T4PT,H_(3) BDA appears different responsiveness resulting in different co-assembled structures,respectively.The linear structure is regulated into a flower-like structure by COR and COR molecules are trapped in the cavities.When the pyridine derivative(T4PT)is introduced,a new bicomponent porous structure emerges via the hydrogen bond formed between the carboxyl group and the pyridine.Furthermore,the deposition of additional COR to the H_(3) BDA/T4PT system results in the breakdown of the porous structure and the generation of H_(3) BDA/COR host-guest system.Combined with density functional theory(DFT)calculations and molecular dynamics(MD)simulations,the transformation phenomenon of bi-component nanostruc-ture induced by guest molecules is formulated.The results are expected to understand the modification effect of guest molecules on the host network,which is of great significance for the design and construc-tion of multi-component nanostructures and crystal engineering.

关 键 词：Supramolecular self-assembly Host-guest co-assembly Scanning tunneling microscopy(STM) Computational simulation Molecular recognition 

分 类 号：O641.3[理学—物理化学]